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856161-17-6 molecular structure
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3-amino-5-bromopyridin-4-ol hydrochloride

ChemBase ID: 293018
Molecular Formular: C5H6BrClN2O
Molecular Mass: 225.47094
Monoisotopic Mass: 223.9352025
SMILES and InChIs

SMILES:
Cl.Nc1c(O)c(Br)cnc1
Canonical SMILES:
Oc1c(N)cncc1Br.Cl
InChI:
InChI=1S/C5H5BrN2O.ClH/c6-3-1-8-2-4(7)5(3)9;/h1-2H,7H2,(H,8,9);1H
InChIKey:
VXUFJJTVBPKNGF-UHFFFAOYSA-N

Cite this record

CBID:293018 http://www.chembase.cn/molecule-293018.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-amino-5-bromopyridin-4-ol hydrochloride
IUPAC Traditional name
3-amino-5-bromopyridin-4-ol hydrochloride
Synonyms
3-Amino-5-bromopyridin-4-ol hydrochloride
CAS Number
856161-17-6
PubChem SID
180678549
PubChem CID
70700928

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241910 Please log in.
Data Source Data ID
PubChem 70700928 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.52256  H Acceptors
H Donor LogD (pH = 5.5) 0.39169043 
LogD (pH = 7.4) 0.38862768  Log P 0.39183474 
Molar Refractivity 38.2052 cm3 Polarizability 14.182533 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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